(E)-Neochlorogenic Acid

CAS: 906-33-2

Ref. TR-N389905

Product Information

• Name: (E)-Neochlorogenic Acid
• Synonyms: Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)-, Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)- (9CI), Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1alpha,3alpha(E),4alpha,5beta]]-, Neochlorogenic acid (6CI,8CI), (1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, 3-O-(E)-Caffeoylquinic acid, 5-(E)-Caffeoylquinic acid, 5-Caffeoylquinic acid, 5-O-Caffeolyquinic acid, 5-O-Caffeoylquinic acid
• Brand: TRC
• Description: Applications (E)-Neochlorogenic Acid is an antioxidant compound used in the treatment of oxidative stress and related afflictions.References Wang, J. et al.: Molecules, 19, 21226 (2014); Jimenez-Zamora, A. et al.: LWT-Food Sci. Tech., 61, 12 (2015)

Chemical properties

• Molecular weight: 354.31
• Formula: C₁₆H₁₈O₉
• Color/Form: Off-White
• InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
• InChI key: InChIKey=CWVRJTMFETXNAD-NXLLHMKUSA-N
• SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O